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6-(4-(Trifluoromethyl)phenyl)benzo[4,5]thieno[3,2-f]isoquinoline
SpectraBase Compound ID 9dNKICxaVSX
InChI InChI=1S/C22H12F3NS/c23-22(24,25)15-7-5-13(6-8-15)18-11-14-12-26-10-9-16(14)20-17-3-1-2-4-19(17)27-21(18)20/h1-12H
InChIKey SGNUQTGJUJKHEH-UHFFFAOYSA-N
Mol Weight 379.4 g/mol
Molecular Formula C22H12F3NS
Exact Mass 379.064255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EO5F6kVpmve
Name 6-(4-(Trifluoromethyl)phenyl)benzo[4,5]thieno[3,2-f]isoquinoline
Appearance White solid
Carrier Gas Helium
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Exact Mass 379.064255053 u
Formula C22H12F3NS
InChI InChI=1S/C22H12F3NS/c23-22(24,25)15-7-5-13(6-8-15)18-11-14-12-26-10-9-16(14)20-17-3-1-2-4-19(17)27-21(18)20/h1-12H
InChIKey SGNUQTGJUJKHEH-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 379.400 g/mol
Quality 232
Reported Formula C22H12F3NS
SMILES C1(=CC=C(C=C1)C(F)(F)F)C=1C2=C(C=3C=CN=CC3C1)C1=C(S2)C=CC=C1
SPLASH splash10-004i-0009000000-edb5b07e1ada645c45b8
Source of Spectrum K1-2022-SM31-3r (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.32 (Heptane/EtOAc, 1.5:1)
Wiley ID 1899050